5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide

C16H21N3O3 — CID 111458419

IUPAC5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCCc1ccc(O)c(C(=O)NCC(C)(O)c2cnn(C)c2)c1
InChIInChI=1S/C16H21N3O3/c1-4-11-5-6-14(20)13(7-11)15(21)17-10-16(2,22)12-8-18-19(3)9-12/h5-9,20,22H,4,10H2,1-3H3,(H,17,21)
InChIKeyOMJCCUYWYWBRLP-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.33
Rot. Bonds5

About 5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide

5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 111458419) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID111458419
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCCc1ccc(O)c(C(=O)NCC(C)(O)c2cnn(C)c2)c1
InChIInChI=1S/C16H21N3O3/c1-4-11-5-6-14(20)13(7-11)15(21)17-10-16(2,22)12-8-18-19(3)9-12/h5-9,20,22H,4,10H2,1-3H3,(H,17,21)
InChIKeyOMJCCUYWYWBRLP-UHFFFAOYSA-N
XLogP1.33
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836
1-[2-(4-ethylphenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458114
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dimethylbenzamide
CID 111458743
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide
CID 111458533
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-methyl-5-nitrobenzamide
CID 111458736
2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111519861

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide (CID 111458419) is 5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide is CCc1ccc(O)c(C(=O)NCC(C)(O)c2cnn(C)c2)c1.
What is the InChIKey of 5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is OMJCCUYWYWBRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-11-5-6-14(20)13(7-11)15(21)17-10-16(2,22)12-8-18-19(3)9-12/h5-9,20,22H,4,10H2,1-3H3,(H,17,21).
What are the key properties of 5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 303.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 111458419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).